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5'-Chloro-3-fluoro-2'-hydroxy-4-methoxy-chalcone

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

5'-Chloro-3-fluoro-2'-hydroxy-4-methoxy-chalcone
SpectraBase Compound ID 8ZXOZBNdVkz
InChI InChI=1S/C16H12ClFO3/c1-21-16-7-3-10(8-13(16)18)2-5-14(19)12-9-11(17)4-6-15(12)20/h2-9,20H,1H3/b5-2+
InChIKey FLHJWPPFFOMBLA-GORDUTHDSA-N
Mol Weight 306.72 g/mol
Molecular Formula C16H12ClFO3
Exact Mass 306.0459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3fddnw6Te8I
Name 5'-Chloro-3-fluoro-2'-hydroxy-4-methoxy-chalcone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.045900106 u
Formula C16H12ClFO3
InChI InChI=1S/C16H12ClFO3/c1-21-16-7-3-10(8-13(16)18)2-5-14(19)12-9-11(17)4-6-15(12)20/h2-9,20H,1H3/b5-2+
InChIKey FLHJWPPFFOMBLA-GORDUTHDSA-N
Molecular Weight 306.720 g/mol
SMILES C=1(F)C=C(\C=C\C(=O)C2=C(O)C=CC(Cl)=C2)C=CC1OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965029